Details of the Drug

General Information of Drug (ID: DM2ZE8U)

• Drug Name: 7-hydroxy-3-phenyl-2H-chromen-2-one
• Synonyms: 7-hydroxy-3-phenyl-2H-chromen-2-one; 6468-96-8; 3-Phenylumbelliferone; 7-Hydroxy-3-phenylcoumarin; 7-hydroxy-3-phenylchromen-2-one; 3-phenyl-7-hydroxycoumarin; CHEMBL153505; 7-Hydroxy-3-phenyl-2H-1-benzopyran-2-one; 2H-1-Benzopyran-2-one,7-hydroxy-3-phenyl-; 7-Hydroxy-3-phenyl-chromen-2-one; EN300-36438; AE-641/01995035; AC1NU2DD; MLS001167019; SCHEMBL591688; AC1Q797K; ZINC58069; CTK5C1589; cid_5393176; DTXSID60419831; MolPort-000-870-829; RIPZCQZTVDNJHQ-UHFFFAOYSA-N; HMS2955O07; BB_NC-01950; SBB042221; STL033560; MFCD00037574

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 238.24
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H10O3
  IUPAC Name: 7-hydroxy-3-phenylchromen-2-one
  Canonical SMILES: C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)O)OC2=O
  InChI: InChI=1S/C15H10O3/c16-12-7-6-11-8-13(10-4-2-1-3-5-10)15(17)18-14(11)9-12/h1-9,16H
  InChIKey: RIPZCQZTVDNJHQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5393176
  CAS Number: 6468-96-8
  TTD ID: D03QNS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
MIF messenger RNA (MIF mRNA)	TT6804T	MIF_HUMAN	Inhibitor	[1]

References

• [1] Discovery of human macrophage migration inhibitory factor (MIF)-CD74 antagonists via virtual screening. J Med Chem. 2009 Jan 22;52(2):416-24.